[Wien] optimized hexagonal structure,the plot is very strange

[Mary White]

Dear all users,
     I optimized the hexagonal structure with wien2k.After the initialization,I execulated "x optimize" ,then I choosed the second choice,that is vary c/a ratio with constant volume. The process is all right. But when I eplot the energy vs c/a in wien2k, the plot is very strange. That is inverse parabolic. I can't find the lowest energy with a certain c/a.
     I haven't had such experience. When optimize c/a with the other different volume, I get the same result, inverse parabolic with a maximal energy value.
     If anyone experienced such things ,or any suggestions,please let me know. That will do a great help to me. Thank you in advance.


                                                                                           Mary

       
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